SCHEMBL20960431

SCHEMBL20960431

CCNC(=O)CNC(=O)CNC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
FAAH O00519 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
PAOX Q6QHF9 3/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2 P00734 1/20 0.33
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24198636 1.00 MCL1 (0.43) MCL1FAAHKDM4EMAPK1HIF1A
SCHEMBL3265866 0.97 MCL1 (0.44) MCL1FAAHKDM4EMAPK1HIF1A
SCHEMBL20960533 0.82 KMT2A (0.50) MCL1FAAHMMP1MMP2MMP3
SCHEMBL12661037 0.82 KDM4E (0.40) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL16802010 0.82 KMT2A (0.50) MCL1FAAHMMP1MMP2MMP3
SCHEMBL21153346 0.80 MCL1 (0.48) MCL1FAAHMMP1MMP2MMP3
SCHEMBL468870 0.80 CTH (0.44) FAAHKDM4EMAPK1HIF1ATSHR
SCHEMBL19509410 0.80 KDM4E (0.39) MCL1KDM4EMAPK1HIF1ATSHR
SCHEMBL468799 0.80 CTH (0.44) FAAHKDM4EMAPK1HIF1ATSHR
SCHEMBL13660541 0.80 MCL1 (0.43) MCL1FAAHMMP1MMP2MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961435-B1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN INC (US) 2019-05-01 EP disclosed